N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide

C14H18ClFN2O — CID 104643161

IUPACN-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide
SMILESO=C(NCC1CCCCC1CCl)c1ccc(F)cn1
InChIInChI=1S/C14H18ClFN2O/c15-7-10-3-1-2-4-11(10)8-18-14(19)13-6-5-12(16)9-17-13/h5-6,9-11H,1-4,7-8H2,(H,18,19)
InChIKeyMDEVSUARGACZMS-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.00
Rot. Bonds4

About N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide

N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide (PubChem CID 104643161) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide
PubChem CID104643161
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide
SMILESO=C(NCC1CCCCC1CCl)c1ccc(F)cn1
InChIInChI=1S/C14H18ClFN2O/c15-7-10-3-1-2-4-11(10)8-18-14(19)13-6-5-12(16)9-17-13/h5-6,9-11H,1-4,7-8H2,(H,18,19)
InChIKeyMDEVSUARGACZMS-UHFFFAOYSA-N
XLogP3.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103122655
5-(ethylamino)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 104640456
N-[[2-(bromomethyl)cyclohexyl]methyl]-5-cyanopyridine-2-carboxamide
CID 114317417
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide
CID 114303054
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide
CID 106754219
N-(2-chloroethyl)-N-cyclobutyl-5-fluoropyridine-2-carboxamide
CID 102872801
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723801
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107418817
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide
CID 82818931

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide (CID 104643161) is N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide is O=C(NCC1CCCCC1CCl)c1ccc(F)cn1.
What is the InChIKey of N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is MDEVSUARGACZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-7-10-3-1-2-4-11(10)8-18-14(19)13-6-5-12(16)9-17-13/h5-6,9-11H,1-4,7-8H2,(H,18,19).
What are the key properties of N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide?
N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 284.76 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104643161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).